3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile

C12H16N4O — CID 82813785

IUPAC3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCC2O)c1N
InChIInChI=1S/C12H16N4O/c13-6-8-4-5-15-12(11(8)14)16-7-9-2-1-3-10(9)17/h4-5,9-10,17H,1-3,7,14H2,(H,15,16)
InChIKeyDSOAWGKITQVNMP-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.11
Rot. Bonds3

About 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile

3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile (PubChem CID 82813785) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
PubChem CID82813785
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile
SMILESN#Cc1ccnc(NCC2CCCC2O)c1N
InChIInChI=1S/C12H16N4O/c13-6-8-4-5-15-12(11(8)14)16-7-9-2-1-3-10(9)17/h4-5,9-10,17H,1-3,7,14H2,(H,15,16)
InChIKeyDSOAWGKITQVNMP-UHFFFAOYSA-N
XLogP1.11
TPSA94.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-2-(cyclopentylmethylamino)pyridine-4-carbonitrile
CID 82817445
3-[(2-hydroxycyclohexyl)methylamino]pyrazine-2-carbonitrile
CID 64911460
3-amino-2-[(2-hydroxycycloheptyl)amino]pyridine-4-carbonitrile
CID 113394617
3-amino-2-(2-cyclopentylethylamino)pyridine-4-carbonitrile
CID 82816968
3-amino-2-(cyclopentylamino)pyridine-4-carbonitrile
CID 82817355
3-amino-2-(cyclooctylamino)pyridine-4-carbonitrile
CID 82817121
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
2-[(2-hydroxycyclohexyl)methylamino]quinoline-3-carbonitrile
CID 64911454
2-[(3-amino-4-cyano-2-pyridinyl)amino]acetic acid
CID 82817313
3-amino-2-[2-(cyclopropylmethoxy)ethylamino]pyridine-4-carbonitrile
CID 114097597
3-amino-2-[2-(oxan-2-yl)ethylamino]pyridine-4-carbonitrile
CID 114135773
3-amino-2-(propylamino)pyridine-4-carbonitrile
CID 82817034

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The IUPAC name of 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile (CID 82813785) is 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile.
What is the SMILES notation for 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The canonical SMILES for 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile is N#Cc1ccnc(NCC2CCCC2O)c1N.
What is the InChIKey of 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
The InChIKey is DSOAWGKITQVNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c13-6-8-4-5-15-12(11(8)14)16-7-9-2-1-3-10(9)17/h4-5,9-10,17H,1-3,7,14H2,(H,15,16).
What are the key properties of 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile?
3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile has a molecular weight of 232.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(2-hydroxycyclopentyl)methylamino]pyridine-4-carbonitrile is sourced from PubChem (CID 82813785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).